UCSF

ZINC57935292

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2011 11 Yes

Popular Name: 2-Amino-2,3-dihydro-1H-inden-1-one hydrochloride 2-Amino-2,3-dihydro-1H-inden-1-o…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 223418-68-6 , 26976-63-6 , 6941-16-8 , N/A , [6941-16-8]

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.32 2.44 -7.52 2 2 0 43 147.177 0 ↓

Vendor Notes

Note Type Comments Provided By
MP 109 - 111 Enamine Building Blocks
MP 109...111 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem

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Rings

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.